SCHEMBL13497654

SCHEMBL13497654

N=Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.60
▸ TSHR P16473 1/20 0.60
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NR1H2 P55055 1/20 0.52
▸ BAX Q07812 1/20 0.52
▸ MAOA P21397 1/20 0.52
▸ TLR4 O00206 1/20 0.50
▸ TLR2 O60603 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ HPGD P15428 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20024694 0.82 LTA4H (0.63) LTA4HTSHRNPC1RAB9AMEN1
SCHEMBL435149 0.81 LTA4H (0.92) LTA4HTSHRNPC1RAB9AMEN1
SCHEMBL11576945 0.81 LTA4H (0.92) LTA4HTSHRNPC1RAB9AMEN1
SCHEMBL22129853 0.81 LTA4H (0.92) LTA4HTSHRNPC1RAB9AMEN1
SCHEMBL122719 0.81 LTA4H (0.92) LTA4HTSHRNPC1RAB9AMEN1
SCHEMBL9212518 0.81 LTA4H (0.92) LTA4HTSHRNPC1RAB9AMEN1
SCHEMBL3893562 0.81 LTA4H (0.92) LTA4HTSHRNPC1RAB9AMEN1
SCHEMBL29098231 0.80 TRPA1 (0.64) LTA4HTSHRNPC1RAB9AMEN1
SCHEMBL4553033 0.79 TLR4 (0.54) LTA4HTSHRMEN1ALDH1A1LMNA
SCHEMBL97639 0.78 ALDH1A1 (0.59) LTA4HTSHRNPC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022123530-A1 BORONIC ACID COMPOUND 주식회사 엘지화학 2022-06-16 — — WO disclosed
EP-2154213-A1 Ink-jet ink composition, and ink-jet recording method Fujifilm Corporation (JP) 2010-02-17 — — EP disclosed
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